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CHEMBLOCK-ZINC04126358

 MMsINC code: MMs00542886
Type: Neutral
Formula: C16H25NO3
SMILES:   OC(=O)C(NC(=O)C12CC3CC(C1)CC(C2)C3)C(C)C
InChI:   InChI=1/C16H25NO3/c1-9(2)13(14(18)19)17-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-13H,3-8H2,1-2H3,(H,17,20)(H,18,19)/t10-,11+,12-,13-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=58.6561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.38 g/mol  logS: -3.88757  SlogP: 2.4282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120664  Sterimol/B1: 3.79703  Sterimol/B2: 3.88055  Sterimol/B3: 3.90749
  Sterimol/B4: 4.79642  Sterimol/L: 13.5483 
 
 Surface and Volume Properties
  Accessible surface: 488.092  Positive charged surface: 360.179  Negative charged surface: 127.913  Volume: 275.875
  Hydrophobic surface: 353.235  Hydrophilic surface: 134.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00542887
CHEMBLOCK-ZINC04126358